1.0 2016-09-30 23:20:00 UTC 2020-04-22 15:16:47 UTC BMDB0006049 BMDB06049 O-Phosphotyrosine O-Phospho-L-tyrosine O-Phosphono-L-tyrosine Phosphonotyrosine Phosphotyrosine Tyrosine phosphate Tyrosine phosphoric acid Tyrosine O phosphate Tyrosine-O-phosphate L-Phosphotyrosine L-3-(4-Hydroxyphenyl)alanine 4'-phosphate L-Tyrosine-O-phosphate phospho-L-Tyrosine Phosphotyrosine (py) Tyrosine O-phosphate C9H12NO6P 261.1684 261.040223633 (2S)-2-amino-3-[4-(phosphonooxy)phenyl]propanoic acid phosphonotyrosine 21820-51-9 N[C@@H](CC1=CC=C(OP(O)(O)=O)C=C1)C(O)=O InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 DCWXELXMIBXGTH-QMMMGPOBSA-N belongs to the class of organic compounds known as phenylalanine and derivatives. Phenylalanine and derivatives are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Phenylalanine and derivatives Amino acids Amphetamines and derivatives Aralkylamines Carbonyl compounds Carboxylic acids Hydrocarbon derivatives L-alpha-amino acids Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Phenoxy compounds Phenyl phosphates Phenylpropanoic acids 3-phenylpropanoic-acid Alpha-amino acid Amine Amino acid Amphetamine or derivatives Aralkylamine Aromatic homomonocyclic compound Aryl phosphate Aryl phosphomonoester Benzenoid Carbonyl group Carboxylic acid Hydrocarbon derivative L-alpha-amino acid Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organonitrogen compound Organooxygen compound Organopnictogen compound Phenoxy compound Phenyl phosphate Phenylalanine or derivatives Phosphoric acid ester Primary aliphatic amine Primary amine Aromatic homomonocyclic compounds L-tyrosine derivative O(4)-phosphotyrosine non-proteinogenic L-alpha-amino acid Solid logp -0.76 ALOGPS logs -2.13 ALOGPS logp -1.5 ChemAxon pka_strongest_acidic 1.38 ChemAxon pka_strongest_basic 9.46 ChemAxon iupac (2S)-2-amino-3-[4-(phosphonooxy)phenyl]propanoic acid ChemAxon average_mass 261.1684 ChemAxon mono_mass 261.040223633 ChemAxon smiles N[C@@H](CC1=CC=C(OP(O)(O)=O)C=C1)C(O)=O ChemAxon formula C9H12NO6P ChemAxon inchi InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 ChemAxon inchikey DCWXELXMIBXGTH-QMMMGPOBSA-N ChemAxon polar_surface_area 130.08 ChemAxon refractivity 57.97 ChemAxon polarizability 22.7 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 19420 Specdb::CMs 38949 Specdb::CMs 131361 Specdb::CMs 139095 Specdb::MsMs 23204 Specdb::MsMs 23205 Specdb::MsMs 23206 Specdb::MsMs 30002 Specdb::MsMs 30003 Specdb::MsMs 30004 Specdb::MsMs 2351341 Specdb::MsMs 2351342 Specdb::MsMs 2351343 Specdb::MsMs 2583956 Specdb::MsMs 2583957 Specdb::MsMs 2583958 Specdb::NmrOneD 61612 Specdb::NmrOneD 61613 Specdb::NmrOneD 61614 Specdb::NmrOneD 61615 Specdb::NmrOneD 61616 Specdb::NmrOneD 61617 Specdb::NmrOneD 61618 Specdb::NmrOneD 61619 Specdb::NmrOneD 61620 Specdb::NmrOneD 61621 Specdb::NmrOneD 61622 Specdb::NmrOneD 61623 Specdb::NmrOneD 61624 Specdb::NmrOneD 61625 Specdb::NmrOneD 61626 Specdb::NmrOneD 61627 Specdb::NmrOneD 61628 Specdb::NmrOneD 61629 Specdb::NmrOneD 61630 Specdb::NmrOneD 61631 FDB023821 28593 30819 37788 DB01962 C06501 PTR Tyrosine